5,7-Dihydroxy-3,6-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
PubChem CID: 118730331
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| Compound Synonyms | CHEMBL3407503, BDBM50464570, 5,7-dihydroxy-3,6-dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one |
|---|---|
| Topological Polar Surface Area | 113.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 607.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-3,6-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C20H20O9 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GGNGEESEARSAMF-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.119 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.484 |
| Compound Name | 5,7-Dihydroxy-3,6-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 404.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 404.111 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 404.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9406760620689667 |
| Inchi | InChI=1S/C20H20O9/c1-24-12-6-9(7-13(25-2)19(12)27-4)17-20(28-5)16(23)14-11(29-17)8-10(21)18(26-3)15(14)22/h6-8,21-22H,1-5H3 |
| Smiles | COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gardenia Urvillei (Plant) Rel Props:Source_db:cmaup_ingredients